2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide

C26H29ClN2O — CID 71584414

IUPAC2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29ClN2O/c1-4-28(5-2)24-16-10-22(11-17-24)19-29(25-14-6-20(3)7-15-25)26(30)18-21-8-12-23(27)13-9-21/h6-17H,4-5,18-19H2,1-3H3
InChIKeyJHLCXAWIXFCLOB-UHFFFAOYSA-N
MW420.98 g/mol
LogP6.27
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide

2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide (PubChem CID 71584414) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
PubChem CID71584414
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29ClN2O/c1-4-28(5-2)24-16-10-22(11-17-24)19-29(25-14-6-20(3)7-15-25)26(30)18-21-8-12-23(27)13-9-21/h6-17H,4-5,18-19H2,1-3H3
InChIKeyJHLCXAWIXFCLOB-UHFFFAOYSA-N
XLogP6.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide (CID 71584414) is 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide is CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide?
The InChIKey is JHLCXAWIXFCLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O/c1-4-28(5-2)24-16-10-22(11-17-24)19-29(25-14-6-20(3)7-15-25)26(30)18-21-8-12-23(27)13-9-21/h6-17H,4-5,18-19H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide?
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide has a molecular weight of 420.98 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 71584414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).